Metabolomics Structure Database

 
MW REGNO: 38802
Common Name:N-Acetylglutamine
Systematic Name:4-carbamoyl-2-acetamidobutanoic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
188.0797 (neutral)    Calculate m/z:
Formula:C7H12N2O4
InChIKey:KSMRODHGGIIXDV-UHFFFAOYSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:Amino acids, peptides, and analogues [C0000013]
ClassyFire direct parent:Glutamine and derivatives [C0004315]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:25561
HMDB ID:HMDB0006029
Chemspider ID:23836
BMRB ID:bmse001000

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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